>compound 4-Methylthiobutyl glucosinolate_4-Methylthiobutyl glucosinolate
#instrument UPLC Q-Tof Premier, Waters
>formula C12H23NO9S3
#smiles CSCCCCC(=NOS(O)(=O)=O)SC(O1)C(O)C(O)C(O)C(CO)1
#RECORD LC-ESI-QTOF_train_data/PR100949.txt
>charge -1
>ionization [M-H]-
>parentmass 420.04567

>collision 5-60
74.9939 3662.0
79.9601 968.0
95.9546 4188.0
96.9622 6537.0
420.0457 5328.0
420.561 515.9

